Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1725  |  »Ø¸´: 12
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

â¹û²è

Ìú³æ (³õÈëÎÄ̳)

[ÇóÖú] ·´Ìú´ÅÔõôÓÅ»¯ºó³ÉÁËÌú´Å

ÓÃMS¶Ô·´Ìú´ÅNdGaO3½øÐÐÓÅ»¯£¬·½·¨ÎªLDA£¬¿¼ÂÇ×ÔÐý£¬ÓÃLDA+U£¬½á¹û·¢ÏÖÓÅ»¯ºóµÄ¾§°û£¨ÔÚ.xsdÎļþÖеģ©×ÔÐýÈ«²¿ÏòÉÏ£¬³ÉÁËÌú´Å¡£ÕâÊÇΪʲô°¡£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Lathander

гæ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+2, лл»ØÌù£¡ 2013-01-24 09:59:20
VASP¼ÆËã¶Ôinitial magnetic momentumºÜÃô¸Ð£¬¼´Ê¹Äã¸ø¶¨Ò»¸ö³õʼ̬£¬ËüÒ²¿ÉÄÜÊÕÁ²µ½local minimum£¬¶ø²»ÊÇÖ÷¶¯È¥Ñ°ÕÒglobal minimum
½â¾ö·½·¨¾ÍÊǶàÊÔÊÔ¼¸¸öinitial configuration£¬ÕÒ³öÆäÖеÄ×îÓŽâ
4Â¥2013-01-23 07:47:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 13 ¸ö»Ø´ð

xiaoyukaka

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+2, лл»ØÌû£¡ 2013-01-24 09:58:50
¿ÉÄÜ·´Ìú´Å±¾À´¾Í²»Îȶ¨£¬»òÕßûÓÐÕÒµ½·´Ìú´Å¼«Ð¡µã¡£
2Â¥2013-01-22 16:21:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

â¹û²è

Ìú³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by xiaoyukaka at 2013-01-22 16:21:44
¿ÉÄÜ·´Ìú´Å±¾À´¾Í²»Îȶ¨£¬»òÕßûÓÐÕÒµ½·´Ìú´Å¼«Ð¡µã¡£

·´Ìú´ÅÔõô»á²»Îȶ¨ÄØ£¿Í¨¹ýÄÜÁ¿¼ÆË㣬ȷ¶¨ÕâÖÖ²ÄÁϵĻù̬ÊÇ·´Ìú´ÅÌ¬ÄØ¡£
3Â¥2013-01-22 16:29:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xiaoyukaka

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï
fzx2008: ½ð±Ò+2, лл»ØÌû£¡ 2013-01-24 09:59:41
â¹û²è: ½ð±Ò+2 2013-01-24 12:23:50
ÄǾÍÓ¦¸ÃÊÇûÓÐÕÒµ½¼«Ð¡µã£¬Äã¿ÉÒÔÐÞ¸Äһϳõʼ²ÎÊý£¬Ê¹Ëû¾¡Á¿ºÍ·´Ìú´Å¹¹ÐÍÒ»Ö±¡£²»¹ýÎÒûÓùývasp£¬¸ù¾ÝÎÒÓÃÆäËûÈí¼þµÄ¾­Ñ飬¿ÉÒÔͨ¹ýÐ޸ijõʼ»¯µç×ÓÕ¼¾Ý£¬ÃܶȾØÕóµÈ¡£
5Â¥2013-01-23 08:17:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á 348·Ö +11 °¦ÎÒ³¬ÕæÃ»ÕÐÁË 2026-04-06 11/550 2026-04-08 08:48 by oooqiao
[¿¼ÑÐ] 308Çóµ÷¼Á +13 īīĮ 2026-04-06 13/650 2026-04-08 08:40 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á +27 111623 2026-04-04 31/1550 2026-04-08 08:36 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 326·Ö£¬Ò»Ö¾Ô¸»¦9£¬ÇóÉúÎïѧµ÷¼Á +4 Áõīī 2026-04-05 4/200 2026-04-08 06:22 by lijunpoly
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷ÄÏ090202Çóµ÷¼Á +4 ÔÚÏßÇóÓÐѧÉÏ 2026-04-07 4/200 2026-04-07 19:47 by biomichael
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ ²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +9 Mr. Z 2026-04-05 9/450 2026-04-07 15:30 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +12 ÍÛºôºßºôºß 2026-04-01 13/650 2026-04-07 10:02 by zhen¡«
[¿¼ÑÐ] 285Çóµ÷¼Á +8 AZMK 2026-04-04 11/550 2026-04-06 13:56 by BruceLiu320
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-05 4/200 2026-04-06 12:29 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] ÉúÎïѧÇóµ÷¼Á +5 15064154688 2026-04-03 5/250 2026-04-06 11:56 by lijunpoly
[¿¼ÑÐ] Çóµ÷¼Á +10 chenxrlkx 2026-04-05 10/500 2026-04-06 11:31 by Öí»á·É
[¿¼ÑÐ] 332Çóµ÷¼Á +17 ССÃÏ... 2026-04-05 18/900 2026-04-06 09:51 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +6 ioodiiij 2026-04-04 6/300 2026-04-05 10:09 by guoweigw
[¿¼ÑÐ] 353Çóµ÷¼Á +10 MayUxw1 2026-04-03 10/500 2026-04-05 09:23 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 292·Ö£¬²ÄÁÏÓ뻯¹¤£¬ÉêÇëµ÷¼Á +22 ³ÌÇçÖ® 2026-04-01 26/1300 2026-04-04 22:03 by hemengdong
[¿¼ÑÐ] Çóµ÷¼Á +4 êɹ¦? 2026-04-03 4/200 2026-04-04 21:58 by hemengdong
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì¿¼ÑÐ +10 Õü¾ÈÆ¤ÌØÍÐÏÈÉú 2026-04-02 10/500 2026-04-03 23:57 by userper
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-03 16:46 by wxiongid
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +4 Ò»ÑùYWY 2026-04-03 4/200 2026-04-03 09:48 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 318Çóµ÷¼Á +8 ÆßÒä77 2026-04-01 8/400 2026-04-01 10:37 by Jaylen.
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û